4-methoxy-N-[1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazol-3-yl]-1,3,5-triazin-2-amine

C26H22N6O2 — CID 175381688

IUPAC4-methoxy-N-[1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazol-3-yl]-1,3,5-triazin-2-amine
SMILESCOc1ccc(-c2ccccc2-n2nc(Nc3ncnc(OC)n3)cc2-c2ccccc2)cc1
InChIInChI=1S/C26H22N6O2/c1-33-20-14-12-18(13-15-20)21-10-6-7-11-22(21)32-23(19-8-4-3-5-9-19)16-24(31-32)29-25-27-17-28-26(30-25)34-2/h3-17H,1-2H3,(H,27,28,29,30,31)
InChIKeyHYYHSDDNIKPVPP-UHFFFAOYSA-N
MW450.50 g/mol
LogP5.15
Rot. Bonds7

About 4-methoxy-N-[1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazol-3-yl]-1,3,5-triazin-2-amine

4-methoxy-N-[1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazol-3-yl]-1,3,5-triazin-2-amine (PubChem CID 175381688) has the molecular formula C26H22N6O2 and a molecular weight of 450.50 g/mol. Its IUPAC name is 4-methoxy-N-[1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazol-3-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazol-3-yl]-1,3,5-triazin-2-amine
PubChem CID175381688
Molecular FormulaC26H22N6O2
Molecular Weight450.50 g/mol
Exact Mass450.18
IUPAC Name4-methoxy-N-[1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazol-3-yl]-1,3,5-triazin-2-amine
SMILESCOc1ccc(-c2ccccc2-n2nc(Nc3ncnc(OC)n3)cc2-c2ccccc2)cc1
InChIInChI=1S/C26H22N6O2/c1-33-20-14-12-18(13-15-20)21-10-6-7-11-22(21)32-23(19-8-4-3-5-9-19)16-24(31-32)29-25-27-17-28-26(30-25)34-2/h3-17H,1-2H3,(H,27,28,29,30,31)
InChIKeyHYYHSDDNIKPVPP-UHFFFAOYSA-N
XLogP5.15
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.50
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazol-3-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-N-[1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazol-3-yl]-1,3,5-triazin-2-amine (CID 175381688) is 4-methoxy-N-[1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazol-3-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-N-[1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazol-3-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-N-[1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazol-3-yl]-1,3,5-triazin-2-amine is COc1ccc(-c2ccccc2-n2nc(Nc3ncnc(OC)n3)cc2-c2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-[1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazol-3-yl]-1,3,5-triazin-2-amine?
The InChIKey is HYYHSDDNIKPVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O2/c1-33-20-14-12-18(13-15-20)21-10-6-7-11-22(21)32-23(19-8-4-3-5-9-19)16-24(31-32)29-25-27-17-28-26(30-25)34-2/h3-17H,1-2H3,(H,27,28,29,30,31).
What are the key properties of 4-methoxy-N-[1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazol-3-yl]-1,3,5-triazin-2-amine?
4-methoxy-N-[1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazol-3-yl]-1,3,5-triazin-2-amine has a molecular weight of 450.50 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazol-3-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 175381688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).